2.0 2015-09-08 20:09:04 -0600 2015-12-09 14:07:26 -0700 ECMDB24779 M2MDB006896 DG(14:0/19:0cycw8c/0:0) DG(14:0/19:0cycw8c/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(14:0/19:0cycw8c/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway. C36H68O5 580.935 580.50667529 (2S)-3-{[9-(2-heptylcyclopropyl)nonanoyl]oxy}-2-hydroxypropyl tetradecanoate (2S)-3-{[9-(2-heptylcyclopropyl)nonanoyl]oxy}-2-hydroxypropyl tetradecanoate [H][C@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCC1CC1CCCCCCC InChI=1S/C36H68O5/c1-3-5-7-9-10-11-12-13-14-19-23-27-35(38)40-30-34(37)31-41-36(39)28-24-20-16-15-18-22-26-33-29-32(33)25-21-17-8-6-4-2/h32-34,37H,3-31H2,1-2H3/t32?,33?,34-/m0/s1 PRIXPGQWKMBTGD-PZIMRNDGSA-N logp 9.97 ALOGPS logs -7.49 ALOGPS solubility 1.90e-05 g/l ALOGPS logp 11.67 ChemAxon pka_strongest_acidic 13.63 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac (2S)-3-{[9-(2-heptylcyclopropyl)nonanoyl]oxy}-2-hydroxypropyl tetradecanoate ChemAxon average_mass 580.935 ChemAxon mono_mass 580.50667529 ChemAxon smiles [H][C@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCC1CC1CCCCCCC ChemAxon formula C36H68O5 ChemAxon inchi InChI=1S/C36H68O5/c1-3-5-7-9-10-11-12-13-14-19-23-27-35(38)40-30-34(37)31-41-36(39)28-24-20-16-15-18-22-26-33-29-32(33)25-21-17-8-6-4-2/h32-34,37H,3-31H2,1-2H3/t32?,33?,34-/m0/s1 ChemAxon inchikey PRIXPGQWKMBTGD-PZIMRNDGSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 170.39 ChemAxon polarizability 76.65 ChemAxon rotatable_bond_count 33 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon phospholipid biosynthesis CL(16:0/16:0/14:0/19:0cycv8c) "Phospholipids are membrane components in E. coli. The major phospholipids of E. coli are phosphatidylethanolamine, phosphatidylglycerol and cardiolipin. All phospholipids contain sn-glycerol-3-phosphate esterified with fatty acids at the sn-1 and sn-2 positions. The reaction starts from a glycerone phosphate (dihydroxyacetone phosphate) produced in glycolysis. The glycerone phosphate is transformed to a sn-glycerol 3-phosphate (glycerol 3 phosphate) by NADPH driven glycerol-3-phosphate dehydrogenase. Sn-glycerol 3-phosphate is transformed to a 1-acyl-sn-glycerol 3-phosphate(1-oleyl-2-lyso-phosphatidate , 1-palmitoylglycerol 3-phosphate , 1-stearoyl-sn-glycerol 3-phosphate). This can be achieve by a sn-glycerol-3-phosphate 1-0-acyltransferase that interacts either with a long-chain acyl-CoA or with an acyl-[acp]. The 1-acyl-sn-glycerol 3-phosphate is transformed into a 1,2-diacyl-sn-glycerol 3-phosphate through a 1-acylglycerol-3-phosphate O-acyltransferase. This compound is then converted into a CPD-diacylglycerol through a CTP (phosphatidate cytididyltransferase. CPD-diacylglycerol can be transformed either to a L-1-phosphatidylserine or a L-1-phosphatidylglycerol-phosphate through a phosphatidylserine synthase or a phosphatidylglycerophosphate synthase respectively. The L-1-phosphatidylserine transforms into L-1-phosphatidylethanolamine through a phosphatidylserine decarboxylase, o the other hand L-1-phosphatidylglycerol-phosphate gets transformed into a L-1-phosphatidyl-glycerol through a phosphatidylglycerophosphatase. These 2 products combines produce a cardiolipin and a ethanolamine. The L-1 phosphatidyl-glycerol can also interact with cardiolipin synthase resulting in a glycerol and a cardiolipin." PW001256 Metabolic Specdb::CMs 1090111 Specdb::EiMs 4075 Specdb::NmrOneD 291175 Specdb::NmrOneD 291176 Specdb::NmrOneD 291177 Specdb::NmrOneD 291178 Specdb::NmrOneD 291179 Specdb::NmrOneD 291180 Specdb::NmrOneD 291181 Specdb::NmrOneD 291182 Specdb::NmrOneD 291183 Specdb::NmrOneD 291184 Specdb::NmrOneD 291185 Specdb::NmrOneD 291186 Specdb::NmrOneD 291187 Specdb::NmrOneD 291188 Specdb::NmrOneD 291189 Specdb::NmrOneD 291190 Specdb::NmrOneD 291191 Specdb::NmrOneD 291192 Specdb::NmrOneD 291193 Specdb::NmrOneD 291194 Specdb::MsMs 1290535 Specdb::MsMs 1290536 Specdb::MsMs 1290537 Specdb::MsMs 1405243 Specdb::MsMs 1405244 Specdb::MsMs 1405245 Yurtsever D. (2007). Fatty acid methyl ester profiling of Enterococcus and Esherichia coli for microbial source tracking. M.sc. Thesis. Villanova University: U.S.A Phosphatidate cytidylyltransferase P0ABG1 CDSA_ECOLI cdsA http://ecmdb.ca/proteins/P0ABG1.xml DG(14:0/19:0cycw8c/0:0) + Cytidine triphosphate + Hydrogen ion > CDP-DG(14:0/19:0cycw8c) + Pyrophosphate PW_R005679